LMPR0103540019 LIPID_MAPS_STRUCTURE_DATABASE 39 44 0 0 0 999 V2000 6.9160 7.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9160 6.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7624 5.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 6.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 7.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7624 7.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9863 7.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4115 6.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9863 6.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5639 8.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9891 9.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0595 9.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0595 8.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0141 6.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2687 9.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7624 8.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4878 7.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5555 5.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4554 5.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8138 5.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0877 8.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3021 6.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4554 5.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4895 4.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2913 10.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2475 10.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4095 9.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9077 11.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 12.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7987 11.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6373 10.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9077 10.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0416 9.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1756 10.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1756 11.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 11.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3096 11.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3096 9.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0416 8.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 2 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 7 1 0 0 0 7 10 1 6 0 0 9 14 1 1 0 0 8 14 1 1 0 0 12 15 2 0 0 0 6 16 1 6 0 0 5 17 1 6 0 0 3 18 1 6 0 0 4 19 1 1 0 0 2 20 1 1 0 0 1 21 1 1 0 0 19 22 2 0 0 0 19 23 1 0 0 0 18 24 2 0 0 0 18 17 1 0 0 0 11 25 1 0 0 0 25 26 1 1 0 0 11 27 1 1 0 0 25 31 1 0 0 0 30 28 1 0 0 0 30 29 2 0 0 0 31 30 1 0 0 0 28 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 28 2 0 0 0 35 37 1 0 0 0 34 38 1 0 0 0 33 39 1 0 0 0 M END > LMPR0103540019 > Austrobuxusin A > > C26H28O12 > 532.16 > Prenol Lipids [PR] > Isoprenoids [PR01] > C15 isoprenoids (sesquiterpenes) [PR0103] > Picrotoxane sesquiterpenoids [PR010354] > > CEVBOMQQLNPCAK-LJAOIFGLSA-N > InChI=1S/C26H28O12/c1-8(2)14-15-23(33)36-17(14)18(30)24(4)25(19-20(37-19)26(15,24)34)7-11(22(32)38-25)9(3)35-21(31)10-5-12(27)16(29)13(28)6-10/h5-6,9,11,14-15,17-20,27-30,34H,1,7H2,2-4H3/t9-,11-,14-,15+,17+,18+,19+,20-,24-,25+,26-/m0/s1 > [C@]12(C)[C@@]3(C[C@@]([H])([C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)C)C(=O)O3)[C@@H]3O[C@@H]3[C@@]1(O)[C@H]1C(O[C@@H]([C@H]2O)[C@H]1C(C)=C)=O > - > - > - > - > - > - > 171119348 > - > - > - > - > - > 1619362 > - $$$$